piperidin-1-yl-[2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: piperidin-1-yl-[2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [2-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]oxyphenyl]-(1-piperidyl)methanone CAS Name: 1-piperidinyl-[2-[[1-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: piperidin-1-yl-[2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [2-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]oxyphenyl]-piperidino-methanone Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

Isomeric SMILES

C[C@H](CCN1C=CC=N1)[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

InChI

InChI=1S/C24H34N4O2/c1-20(10-19-28-16-7-13-25-28)26-17-11-21(12-18-26)30-23-9-4-3-8-22(23)24(29)27-14-5-2-6-15-27/h3-4,7-9,13,16,20-21H,2,5-6,10-12,14-15,17-19H2,1H3/p+1/t20-/m1/s1